N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide

C94H97Cl4F3N12O13S — CID 158045012

IUPACN-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCC(F)Oc1ccc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4csc(-c5ccccc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4ccc(CCC#N)cn4)(C2)C3)ccc1Cl.Cn1nc(C(C)(C)C)cc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C25H23ClN2O3S.C24H25ClN4O3.C23H27ClFN3O3.C22H22ClF2N3O4/c1-16-9-19(7-8-20(16)26)31-11-18(29)10-24-13-25(14-24,15-24)28-22(30)21-12-32-23(27-21)17-5-3-2-4-6-17;1-16-11-18(5-6-19(16)25)32-13-21(30)28-23-8-9-24(14-23,15-23)29-22(31)20-7-4-17(12-27-20)3-2-10-26;1-21(2,3)19-8-17(28(4)27-19)18(29)9-22-11-23(12-22,13-22)26-20(30)10-31-14-5-6-15(24)16(25)7-14;1-13(24)32-15-3-5-18(26-9-15)20(30)28-22-7-6-21(11-22,12-22)27-19(29)10-31-14-2-4-16(23)17(25)8-14/h2-9,12H,10-11,13-15H2,1H3,(H,28,30);4-7,11-12H,2-3,8-9,13-15H2,1H3,(H,28,30)(H,29,31);5-8H,9-13H2,1-4H3,(H,26,30);2-5,8-9,13H,6-7,10-12H2,1H3,(H,27,29)(H,28,30)
InChIKeyFIUOOWNNJVYUMW-UHFFFAOYSA-N
MW1833.75 g/mol
LogP16.71
Rot. Bonds31

About N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 158045012) has the molecular formula C94H97Cl4F3N12O13S and a molecular weight of 1833.75 g/mol. Its IUPAC name is N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID158045012
Molecular FormulaC94H97Cl4F3N12O13S
Molecular Weight1833.75 g/mol
Exact Mass1830.57
IUPAC NameN-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCC(F)Oc1ccc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4csc(-c5ccccc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4ccc(CCC#N)cn4)(C2)C3)ccc1Cl.Cn1nc(C(C)(C)C)cc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C25H23ClN2O3S.C24H25ClN4O3.C23H27ClFN3O3.C22H22ClF2N3O4/c1-16-9-19(7-8-20(16)26)31-11-18(29)10-24-13-25(14-24,15-24)28-22(30)21-12-32-23(27-21)17-5-3-2-4-6-17;1-16-11-18(5-6-19(16)25)32-13-21(30)28-23-8-9-24(14-23,15-23)29-22(31)20-7-4-17(12-27-20)3-2-10-26;1-21(2,3)19-8-17(28(4)27-19)18(29)9-22-11-23(12-22,13-22)26-20(30)10-31-14-5-6-15(24)16(25)7-14;1-13(24)32-15-3-5-18(26-9-15)20(30)28-22-7-6-21(11-22,12-22)27-19(29)10-31-14-2-4-16(23)17(25)8-14/h2-9,12H,10-11,13-15H2,1H3,(H,28,30);4-7,11-12H,2-3,8-9,13-15H2,1H3,(H,28,30)(H,29,31);5-8H,9-13H2,1-4H3,(H,26,30);2-5,8-9,13H,6-7,10-12H2,1H3,(H,27,29)(H,28,30)
InChIKeyFIUOOWNNJVYUMW-UHFFFAOYSA-N
XLogP16.71
TPSA335.17 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001833.75
LogP ≤ 516.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(1,3-dimethylpyrazol-4-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyridin-2-ylbutan-1-one;3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-[(2,5-dimethylpyrazol-3-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 157528279
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-1,3-oxazole-5-carboxamide;2-(4-chlorophenoxy)-N-[3-[2-[6-(1,1-difluoroethoxy)-3-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3,4-dichlorophenoxy)-N-[3-[2-[5-(methoxymethyl)-3-pyridinyl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 161678902
N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-2-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-4-pyrazol-1-ylbutan-1-one
CID 159903226

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 158045012) is N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide is CC(F)Oc1ccc(C(=O)NC23CCC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.Cc1cc(OCC(=O)CC23CC(NC(=O)c4csc(-c5ccccc5)n4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CCC(NC(=O)c4ccc(CCC#N)cn4)(C2)C3)ccc1Cl.Cn1nc(C(C)(C)C)cc1C(=O)CC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.
What is the InChIKey of N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is FIUOOWNNJVYUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S.C24H25ClN4O3.C23H27ClFN3O3.C22H22ClF2N3O4/c1-16-9-19(7-8-20(16)26)31-11-18(29)10-24-13-25(14-24,15-24)28-22(30)21-12-32-23(27-21)17-5-3-2-4-6-17;1-16-11-18(5-6-19(16)25)32-13-21(30)28-23-8-9-24(14-23,15-23)29-22(31)20-7-4-17(12-27-20)3-2-10-26;1-21(2,3)19-8-17(28(4)27-19)18(29)9-22-11-23(12-22,13-22)26-20(30)10-31-14-5-6-15(24)16(25)7-14;1-13(24)32-15-3-5-18(26-9-15)20(30)28-22-7-6-21(11-22,12-22)27-19(29)10-31-14-2-4-16(23)17(25)8-14/h2-9,12H,10-11,13-15H2,1H3,(H,28,30);4-7,11-12H,2-3,8-9,13-15H2,1H3,(H,28,30)(H,29,31);5-8H,9-13H2,1-4H3,(H,26,30);2-5,8-9,13H,6-7,10-12H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 1833.75 g/mol, XLogP of 16.71, 31 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-fluorophenoxy)acetamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(1-fluoroethoxy)pyridine-2-carboxamide;N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-5-(2-cyanoethyl)pyridine-2-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158045012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).